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PUBCHEM-ZINC06762932 |
MMsINC code: MMs03856363 |
Type: Neutral Formula: C28H46O2
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Potential Energy Epot(MMFF94)=194.823 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 414.674 g/mol | logS: -8.46863 | SlogP: 6.5256 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.131237 | Sterimol/B1: 3.86533 | Sterimol/B2: 3.9061 | Sterimol/B3: 4.63523 | |||
Sterimol/B4: 8.84806 | Sterimol/L: 15.4305 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 653.95 | Positive charged surface: 498.052 | Negative charged surface: 155.898 | Volume: 447.125 | |||
Hydrophobic surface: 476.333 | Hydrophilic surface: 177.617 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 |
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